tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate

C26H34N2O5 — CID 90240197

IUPACtert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2ccccc2-c2ccc(CCO)cc2OC(N)=O)CC1
InChIInChI=1S/C26H34N2O5/c1-26(2,3)33-25(31)28-19-11-9-18(10-12-19)20-6-4-5-7-21(20)22-13-8-17(14-15-29)16-23(22)32-24(27)30/h4-8,13,16,18-19,29H,9-12,14-15H2,1-3H3,(H2,27,30)(H,28,31)
InChIKeyPLLBKVLTEJZUDV-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.90
Rot. Bonds6

About tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate

tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate (PubChem CID 90240197) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate
PubChem CID90240197
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Nametert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2ccccc2-c2ccc(CCO)cc2OC(N)=O)CC1
InChIInChI=1S/C26H34N2O5/c1-26(2,3)33-25(31)28-19-11-9-18(10-12-19)20-6-4-5-7-21(20)22-13-8-17(14-15-29)16-23(22)32-24(27)30/h4-8,13,16,18-19,29H,9-12,14-15H2,1-3H3,(H2,27,30)(H,28,31)
InChIKeyPLLBKVLTEJZUDV-UHFFFAOYSA-N
XLogP4.90
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[2-[4-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chloro-5-methoxyphenyl]carbamoylamino]propyl]-2-carbamoyloxyphenyl]phenyl]cyclohexyl]carbamate
CID 90239711
9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 157383915
tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate
CID 174567449
tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate
CID 58712711
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxypropanoate
CID 138478651
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
9H-fluoren-9-ylmethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 124585179
tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
CID 86277339
9H-fluoren-9-ylmethyl (5R)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]diazinane-1-carboxylate
CID 163203435
tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate (CID 90240197) is tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(c2ccccc2-c2ccc(CCO)cc2OC(N)=O)CC1.
What is the InChIKey of tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate?
The InChIKey is PLLBKVLTEJZUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-26(2,3)33-25(31)28-19-11-9-18(10-12-19)20-6-4-5-7-21(20)22-13-8-17(14-15-29)16-23(22)32-24(27)30/h4-8,13,16,18-19,29H,9-12,14-15H2,1-3H3,(H2,27,30)(H,28,31).
What are the key properties of tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate?
tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate has a molecular weight of 454.57 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate is sourced from PubChem (CID 90240197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).